Comparison of Dyson, Hartree-Fock, Kohn-Sham, natural, and natural-bond orbitals: electron momentum spectroscopy of CH4

Publisher： IOP Publishing

ISSN： 1742-6596

Source： Journal of Physics: Conference Series , Vol.488, Iss.5, 2014-04, pp. : 26-26

Access to resources Favorite

Disclaimer: Any content in publications that violate the sovereignty, the constitution or regulations of the PRC is not accepted or approved by CNPIEC.

Previous Menu Next

Abstract

Related content

Constrained minimizations for the calculation of Kohn-Sham and natural orbitals

By Tozer David J.   Handy Nicholas C.   Palmieri Paolo  

Molecular Physics, Vol. 91, Iss. 3, 1997-06 ,pp. : 567-572

Taylor & Francis Ltd

Access to resources Recommend Favorite

A CASCI-MRMP method based on Kohn–Sham orbitals

By Nakao Yoshihide   Choe Yoong-Kee   Nakayama Kenichi   Hirao Kimihiko  

Molecular Physics, Vol. 100, Iss. 6, 2002-03 ,pp. : 729-745

Taylor & Francis Ltd

Access to resources Recommend Favorite

Unrestricted Hartree-Fock spin density calculations on sulphur-containing radicals: Role of d -orbitals in the &pgr;-electron treatment

By Nanda D.N.   Narasimhan P.T.  

Molecular Physics, Vol. 24, Iss. 6, 1972-12 ,pp. : 1341-1352

Taylor & Francis Ltd

Access to resources Recommend Favorite

Computation and analysis of molecular Hartree–Fock momentum intracules

By Besley Nicholas A.   Lee Aaron M.   Gill Peter M. W.  

Molecular Physics, Vol. 100, Iss. 11, 2002-06 ,pp. : 1763-1770

Taylor & Francis Ltd

Access to resources Recommend Favorite

Local polarizability calculations with localized orbitals in the uncoupled Hartree-Fock approximation

By Åstrand Per-Olof   Karlström Gunnar  

Molecular Physics, Vol. 77, Iss. 1, 1992-09 ,pp. : 143-155

Taylor & Francis Ltd

Access to resources Recommend Favorite